The Structure of I - ( H 2 O ) 4 Cluster : Ab initio study
نویسنده
چکیده
For I-(H 2 O) 4 cluster, it has long believed that the C 4 symmetry structure is most stable isomer at low temperature. However, calculated vibrational spectra values using ab initio disagree with experimental values. Therefore, we calculated the structure of I-(H 2 O) 4 using extensive ab initio calculation. Hence, we found most stable isomer for I-(H 2 O) 4 at low temperature. The isomer has C 2 symmetry. The C 4 symmetry structure was transition structure. These findings are useful for solving the confusion between the experiment and ab initio results.
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